Molecule card · MolClass #43066
24805779
24805779: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24805779Mitochondrial Fusion · compound_name
- MolClass ID
- 43066
- InChIKey
- CYJGIDCBUJBZAX-UHFFFAOYSA-N
- Canonical SMILES
- CN4C1CCC4(CC(=C1)N(CCc2ccccc2)C(=O)c3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C23H25ClN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,15,20-21H,11-14,16H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N(C2=CC3NC(C2)CC3)CCc4ccccc4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.911 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.852
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24805779